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Compound Detail

CHEMBL430041

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CC(C)S(=O)(=O)N1CCC2(CC1)OOC1(CCCCCCCCCCC1)OO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL430041
Phase Preclinical
Structure Type MOL
InChI Key DZXXXSIMYDKKNG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

419.6
MW (Da)
4.43
ALogP
6
HBA
0
HBD
74.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H37NO6S
MW 419.58
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness -0.20

Activity Summary

IC50 1 meas. best 7.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 7.06 7.06 86.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 86.37 nM 7.06 Antimalarial activity against Plasmodium falciparum 3D7 18341274

Literature References

PubMed DOI Target Context # Activities
18341274 10.1021/jm701435h Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine